CID 100285

82585-96-4

Structural Information

Molecular Formula
C16H16ClN5O2
SMILES
CCOC(=O)NC1=NC(=C2C(=C1)NCC(=N2)C3=CC=C(C=C3)Cl)N
InChI
InChI=1S/C16H16ClN5O2/c1-2-24-16(23)22-13-7-11-14(15(18)21-13)20-12(8-19-11)9-3-5-10(17)6-4-9/h3-7,19H,2,8H2,1H3,(H3,18,21,22,23)
InChIKey
SIWSRDHPDUYAIW-UHFFFAOYSA-N
Compound name
ethyl N-[5-amino-3-(4-chlorophenyl)-1,2-dihydropyrido[3,4-b]pyrazin-7-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

0
Patents

345.09924 Da
Monoisotopic Mass

2.6
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 346.10652 179.0
[M+Na]+ 368.08846 187.3
[M-H]- 344.09196 180.9
[M+NH4]+ 363.13306 188.7
[M+K]+ 384.06240 180.4
[M+H-H2O]+ 328.09650 169.4
[M+HCOO]- 390.09744 191.9
[M+CH3COO]- 404.11309 187.8
[M+Na-2H]- 366.07391 183.7
[M]+ 345.09869 178.7
[M]- 345.09979 178.7
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

No patent data available for this compound.